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

Systemtic Name: 6-azanyl-2-(phenethylamino)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(phenethylamino)-7H-purin-8-one CAS Name: 6-amino-2-(phenethylamino)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(phenethylamino)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(phenethylamino)-7H-purin-8-one Formula: C20H20N6O MolecularWeight: 360.4124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C20H20N6O/c21-17-16-18(26(20(27)23-16)13-15-9-5-2-6-10-15)25-19(24-17)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,23,27)(H3,21,22,24,25)