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

Systemtic Name: 2-azanyl-8-(3-azanylpiperidin-1-yl)-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 2-amino-8-(3-amino-1-piperidyl)-7-benzyl-1-methyl-purin-6-one CAS Name: 2-amino-8-(3-amino-1-piperidinyl)-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 2-amino-8-(3-aminopiperidin-1-yl)-7-benzyl-1-methylpurin-6-one Traditional Name: 2-amino-8-(3-aminopiperidino)-7-benzyl-1-methyl-purin-6-one Formula: C18H23N7O MolecularWeight: 353.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1N)N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N

Isomeric SMILES

CN1C(=O)C2=C(N=C1N)N=C(N2CC3=CC=CC=C3)N4CCCC(C4)N

InChI

InChI=1S/C18H23N7O/c1-23-16(26)14-15(21-17(23)20)22-18(24-9-5-8-13(19)11-24)25(14)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,19H2,1H3,(H2,20,21)