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

Systemtic Name: 6-azanyl-2-(butan-2-ylamino)-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(sec-butylamino)-7H-purin-8-one CAS Name: 6-amino-2-(butan-2-ylamino)-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(butan-2-ylamino)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(sec-butylamino)-7H-purin-8-one Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CCC(C)NC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H20N6O/c1-3-10(2)18-15-20-13(17)12-14(21-15)22(16(23)19-12)9-11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,19,23)(H3,17,18,20,21)