8-(3-azanylpiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-2-(phenethylamino)purin-6-one

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-2-(phenethylamino)purin-6-one Openeye Name: 8-(3-amino-1-piperidyl)-1-methyl-7-(3-methylbut-2-enyl)-2-(phenethylamino)purin-6-one CAS Name: 8-(3-amino-1-piperidinyl)-1-methyl-7-(3-methylbut-2-enyl)-2-(phenethylamino)-6-purinone IUPAC Name: 8-(3-aminopiperidin-1-yl)-1-methyl-7-(3-methylbut-2-enyl)-2-(phenethylamino)purin-6-one Traditional Name: 8-(3-aminopiperidino)-1-methyl-7-(3-methylbut-2-enyl)-2-(phenethylamino)purin-6-one Formula: C24H33N7O MolecularWeight: 435.56512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C(N(C2=O)C)NCCC3=CC=CC=C3)N=C1N4CCCC(C4)N)C

Isomeric SMILES

CC(=CCN1C2=C(N=C(N(C2=O)C)NCCC3=CC=CC=C3)N=C1N4CCCC(C4)N)C

InChI

InChI=1S/C24H33N7O/c1-17(2)12-15-31-20-21(28-24(31)30-14-7-10-19(25)16-30)27-23(29(3)22(20)32)26-13-11-18-8-5-4-6-9-18/h4-6,8-9,12,19H,7,10-11,13-16,25H2,1-3H3,(H,26,27)