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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-2-(methylamino)-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1-methyl-2-(methylamino)purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-2-(methylamino)-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methyl-2-(methylamino)purin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1-methyl-2-(methylamino)purin-6-one Formula: C19H25N7O MolecularWeight: 367.4481

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CNC1=NC2=C(C(=O)N1C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C19H25N7O/c1-21-18-22-16-15(17(27)24(18)2)26(11-13-7-4-3-5-8-13)19(23-16)25-10-6-9-14(20)12-25/h3-5,7-8,14H,6,9-12,20H2,1-2H3,(H,21,22)