Summary

IMPPAT Phytochemical identifier: IMPHY010386

Phytochemical name: 6-ethyl-3-[(Z)-naphthalen-2-ylmethylideneamino]thieno[2,3-d]pyrimidin-4-one

Synonymous chemical names:
laurenene

External chemical identifiers:
CID:9174718

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Chemical structure information

SMILES:
CCc1sc2c(c1)c(=O)n(cn2)/N=Cc1ccc2c(c1)cccc2

InChI:
InChI=1S/C19H15N3OS/c1-2-16-10-17-18(24-16)20-12-22(19(17)23)21-11-13-7-8-14-5-3-4-6-15(14)9-13/h3-12H,2H2,1H3/b21-11-

InChIKey:
WUVZIZYXCHKXSR-NHDPSOOVSA-N

DeepSMILES:
CCcsccc5)c=O)ncn6))/N=Ccccccc6)cccc6

Functional groups:
c/C=N (c)c, c=O, cnc, csc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccsc2ncn1N=Cc1ccc2ccccc2c1

Scaffold Graph/Node level:
OC1C2CCSC2NCN1NCC1CCC2CCCCC2C1

Scaffold Graph level:
CC1C(CCC2CCC3CCCCC3C2)CCC2CCCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

NP-Likeness score: -1.67

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Chemical structure download