ethyl 4-[2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[6-azanyl-5-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[6-amino-5-[(3,4-dimethoxybenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-amino-4-keto-5-(veratroylamino)-1H-pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28N6O7S MolecularWeight: 520.55872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N6O7S/c1-4-35-22(32)28-9-7-27(8-10-28)16(29)12-36-21-25-18(23)17(20(31)26-21)24-19(30)13-5-6-14(33-2)15(11-13)34-3/h5-6,11H,4,7-10,12H2,1-3H3,(H,24,30)(H3,23,25,26,31)