Summary

IMPPAT Phytochemical identifier: IMPHY017549

Phytochemical name: 6-methyl-1H-pteridin-2-one

Synonymous chemical names:
6-methyl-2(1h)-pteridinone

External chemical identifiers:
CID:595633

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Chemical structure information

SMILES:
Cc1cnc2c(n1)cnc(=O)[nH]2

InChI:
InChI=1S/C7H6N4O/c1-4-2-8-6-5(10-4)3-9-7(12)11-6/h2-3H,1H3,(H,8,9,11,12)

InChIKey:
NIYGNRXIRWYLOP-UHFFFAOYSA-N

DeepSMILES:
Cccnccn6)cnc=O)[nH]6

Functional groups:
c=O, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ncc2nccnc2[nH]1

Scaffold Graph/Node level:
OC1NCC2NCCNC2N1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pteridines and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: pteridine alkaloids

NP-Likeness score: -0.716

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Chemical structure download