2-azanyl-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide

Systemtic Name: 2-azanyl-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide Openeye Name: 2-amino-6-(2-furyl)-N-(m-tolylmethyl)purine-9-carboxamide CAS Name: 2-amino-6-(2-furanyl)-N-[(3-methylphenyl)methyl]-9-purinecarboxamide IUPAC Name: 2-amino-6-(furan-2-yl)-N-[(3-methylphenyl)methyl]purine-9-carboxamide Traditional Name: 2-amino-6-(2-furyl)-N-(3-methylbenzyl)purine-9-carboxamide Formula: C18H16N6O2 MolecularWeight: 348.35864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)N2C=NC3=C(N=C(N=C32)N)C4=CC=CO4

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)N2C=NC3=C(N=C(N=C32)N)C4=CC=CO4

InChI

InChI=1S/C18H16N6O2/c1-11-4-2-5-12(8-11)9-20-18(25)24-10-21-15-14(13-6-3-7-26-13)22-17(19)23-16(15)24/h2-8,10H,9H2,1H3,(H,20,25)(H2,19,22,23)