diethyl 2-[[4-[4-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)piperazin-1-yl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[4-(2-azanyl-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)piperazin-1-yl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[4-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[4-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)-1-piperazinyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[4-(2-amino-6-methyl-4-oxo-1H-pyrimidin-5-yl)piperazin-1-yl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[4-(2-amino-4-keto-6-methyl-1H-pyrimidin-5-yl)piperazino]benzoyl]amino]glutaric acid diethyl ester Formula: C25H34N6O6 MolecularWeight: 514.57406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(NC(=NC3=O)N)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(NC(=NC3=O)N)C

InChI

InChI=1S/C25H34N6O6/c1-4-36-20(32)11-10-19(24(35)37-5-2)28-22(33)17-6-8-18(9-7-17)30-12-14-31(15-13-30)21-16(3)27-25(26)29-23(21)34/h6-9,19H,4-5,10-15H2,1-3H3,(H,28,33)(H3,26,27,29,34)