Summary

Molecular formula: C22H21N7O4S
SMILES: O=C(c1ccc(s1)c1c/c(=NC2CC2)/n2c(n1)/c(=C/c1[nH]c(=O)[nH]c1O)/cn2)N1CCOCC1
InChI: InChI=1S/C22H21N7O4S/c30-20-15(26-22(32)27-20)9-12-11-23-29-18(24-13-1-2-13)10-14(25-19(12)29)16-3-4-17(34-16)21(31)28-5-7-33-8-6-28/h3-4,9-11,13,30H,1-2,5-8H2,(H2,26,27,32)/b12-9+,24-18+
InChIKey: HDQIQHCAJMWRKU-FHFGSIGTSA-N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(c1ccc(-c2cc(=NC3CC3)n3ncc(=Cc4c[nH]c(=O)[nH]4)c3n2)s1)N1CCOCC1

Scaffold Graph/Node level:
OC1NCC(CC2CNN3C(NC4CC4)CC(C4CCC(C(O)N5CCOCC5)S4)NC23)N1

Scaffold Graph level:
CC1CCC(CC2CCC3C(CC4CC4)CC(C4CCC(C(C)C5CCCCC5)C4)CC23)C1

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Chemical classification

Kingdom: Organic compounds
Super class: Organoheterocyclic compounds
Class: Pyrazolopyrimidines
Sub class: Pyrazolo[1,5-a]pyrimidines

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Synonymous chemical names:
compound b9

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External chemical identifiers:
CID_136484246

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Chemical structure download