8-(3-azanylpiperidin-1-yl)-1-methyl-7-(phenylmethyl)-2-(propan-2-ylamino)purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-7-(phenylmethyl)-2-(propan-2-ylamino)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-2-(isopropylamino)-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-7-(phenylmethyl)-2-(propan-2-ylamino)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-(propan-2-ylamino)purin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-2-(isopropylamino)-1-methyl-purin-6-one Formula: C21H29N7O MolecularWeight: 395.50126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CC(C)NC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N7O/c1-14(2)23-20-24-18-17(19(29)26(20)3)28(12-15-8-5-4-6-9-15)21(25-18)27-11-7-10-16(22)13-27/h4-6,8-9,14,16H,7,10-13,22H2,1-3H3,(H,23,24)