Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003216

Phytochemical name: Dipyridamole

Synonymous chemical names:
prandiol

External chemical identifiers:
CID:CID_3108, ChEMBL:CHEMBL932, ChEBI:CHEBI:4653, ZINC:ZINC000000643046, FDASRS:64ALC7F90C, SureChEMBL:SCHEMBL16119, MolPort-001-792-504

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Chemical structure information

SMILES:
OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO

InChI:
InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2

InChIKey:
IZEKFCXSFNUWAM-UHFFFAOYSA-N

DeepSMILES:
OCCNcncNCCCCC6))))))ccn6)cncn6)NCCO)))CCO))))))NCCCCC6))))))))))))CCO

Functional groups:
CO, cN(C)C, cnc

Link to spectral information:
MSBNK-ACES_SU-AS000351, MSBNK-ACES_SU-AS001285

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1nc(N2CCCCC2)c2ncnc(N3CCCCC3)c2n1

Scaffold Graph/Node level:
C1CCN(C2NCNC3C2NCNC3N2CCCCC2)CC1

Scaffold Graph level:
C1CCC(C2CCCC3C(C4CCCCC4)CCCC23)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Amines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: -0.518

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Chemical structure download