N-[(5-methylcyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine

Systemtic Name: N-[(5-methylcyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine Openeye Name: N-[(5-methylcyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine CAS Name: N-[(5-methyl-1-cyclohexa-1,4-dienyl)methyl]-7H-purin-6-amine IUPAC Name: N-[(5-methylcyclohexa-1,4-dien-1-yl)methyl]-7H-purin-6-amine Traditional Name: (5-methylcyclohexa-1,4-dien-1-yl)methyl-(7H-purin-6-yl)amine Formula: C13H15N5 MolecularWeight: 241.2917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC=C(C1)CNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CCC=C(C1)CNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H15N5/c1-9-3-2-4-10(5-9)6-14-12-11-13(16-7-15-11)18-8-17-12/h3-4,7-8H,2,5-6H2,1H3,(H2,14,15,16,17,18)