6-azanyl-2-(pentylamino)-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(pentylamino)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(pentylamino)-7H-purin-8-one CAS Name: 6-amino-2-(pentylamino)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(pentylamino)-7H-purin-8-one Traditional Name: 6-amino-2-(amylamino)-9-benzyl-7H-purin-8-one Formula: C17H22N6O MolecularWeight: 326.39618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H22N6O/c1-2-3-7-10-19-16-21-14(18)13-15(22-16)23(17(24)20-13)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3,(H,20,24)(H3,18,19,21,22)