N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine

Systemtic Name: N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine Openeye Name: N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine CAS Name: N-(1-cyclohexa-1,4-dienylmethyl)-7H-purin-6-amine IUPAC Name: N-(cyclohexa-1,4-dien-1-ylmethyl)-7H-purin-6-amine Traditional Name: cyclohexa-1,4-dien-1-ylmethyl(7H-purin-6-yl)amine Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1C=CCC(=C1)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C12H13N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-2,5,7-8H,3-4,6H2,(H2,13,14,15,16,17)