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

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-7-benzyl-1-methyl-purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-benzyl-1-methylpurin-6-one Traditional Name: 8-(3-aminopiperidino)-7-benzyl-1-methyl-purin-6-one Formula: C18H22N6O MolecularWeight: 338.40688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

Isomeric SMILES

CN1C=NC2=C(C1=O)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N6O/c1-22-12-20-16-15(17(22)25)24(10-13-6-3-2-4-7-13)18(21-16)23-9-5-8-14(19)11-23/h2-4,6-7,12,14H,5,8-11,19H2,1H3