4-[cyclopropylmethyl-[(4-ethoxyphenyl)methyl]amino]-2-(4-ethanoylpiperazin-1-yl)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one

Systemtic Name: 4-[cyclopropylmethyl-[(4-ethoxyphenyl)methyl]amino]-2-(4-ethanoylpiperazin-1-yl)-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one Openeye Name: 2-(4-acetylpiperazin-1-yl)-4-[cyclopropylmethyl-[(4-ethoxyphenyl)methyl]amino]-6-isopropyl-5H-pyrrolo[3,4-d]pyrimidin-7-one CAS Name: 2-(4-acetyl-1-piperazinyl)-4-[cyclopropylmethyl-[(4-ethoxyphenyl)methyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one IUPAC Name: 2-(4-acetylpiperazin-1-yl)-4-[cyclopropylmethyl-[(4-ethoxyphenyl)methyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one Traditional Name: 2-(4-acetylpiperazino)-4-[cyclopropylmethyl-(4-ethoxybenzyl)amino]-6-isopropyl-5H-pyrrolo[3,4-d]pyrimidin-7-one Formula: C28H38N6O3 MolecularWeight: 506.63972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2CC2)C3=NC(=NC4=C3CN(C4=O)C(C)C)N5CCN(CC5)C(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2CC2)C3=NC(=NC4=C3CN(C4=O)C(C)C)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C28H38N6O3/c1-5-37-23-10-8-22(9-11-23)17-33(16-21-6-7-21)26-24-18-34(19(2)3)27(36)25(24)29-28(30-26)32-14-12-31(13-15-32)20(4)35/h8-11,19,21H,5-7,12-18H2,1-4H3