6-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one

Systemtic Name: 6-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one Openeye Name: 6-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one CAS Name: 6-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-piperazinyl)-5-pyrido[4,3-d]pyrimidinone IUPAC Name: 6-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperazin-1-yl)pyrido[4,3-d]pyrimidin-5-one Traditional Name: 2-(4-methylpiperazino)-6-piperonyl-pyrido[4,3-d]pyrimidin-5-one Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C3C(=N2)C=CN(C3=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CCN(CC1)C2=NC=C3C(=N2)C=CN(C3=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N5O3/c1-23-6-8-24(9-7-23)20-21-11-15-16(22-20)4-5-25(19(15)26)12-14-2-3-17-18(10-14)28-13-27-17/h2-5,10-11H,6-9,12-13H2,1H3