8-(3-azanylpiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-2-[(phenylmethyl)amino]purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-2-[(phenylmethyl)amino]purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-2-(benzylamino)-1-methyl-7-(3-methylbut-2-enyl)purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-7-(3-methylbut-2-enyl)-2-[(phenylmethyl)amino]-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-2-(benzylamino)-1-methyl-7-(3-methylbut-2-enyl)purin-6-one Traditional Name: 8-(3-aminopiperidino)-2-(benzylamino)-1-methyl-7-(3-methylbut-2-enyl)purin-6-one Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C(N(C2=O)C)NCC3=CC=CC=C3)N=C1N4CCCC(C4)N)C

Isomeric SMILES

CC(=CCN1C2=C(N=C(N(C2=O)C)NCC3=CC=CC=C3)N=C1N4CCCC(C4)N)C

InChI

InChI=1S/C23H31N7O/c1-16(2)11-13-30-19-20(27-23(30)29-12-7-10-18(24)15-29)26-22(28(3)21(19)31)25-14-17-8-5-4-6-9-17/h4-6,8-9,11,18H,7,10,12-15,24H2,1-3H3,(H,25,26)