ethyl 4-[2-[[6-azanyl-4-oxidanylidene-5-(thiophen-2-ylcarbonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[[6-azanyl-4-oxidanylidene-5-(thiophen-2-ylcarbonylamino)-1H-pyrimidin-2-yl]sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[[6-amino-4-oxo-5-(thiophene-2-carbonylamino)-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[6-amino-4-oxo-5-[[oxo(thiophen-2-yl)methyl]amino]-1H-pyrimidin-2-yl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[6-amino-4-oxo-5-(thiophene-2-carbonylamino)-1H-pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-amino-4-keto-5-(2-thenoylamino)-1H-pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N6O5S2 MolecularWeight: 466.53448

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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=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=O)C(=C(N2)N)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H22N6O5S2/c1-2-29-18(28)24-7-5-23(6-8-24)12(25)10-31-17-21-14(19)13(16(27)22-17)20-15(26)11-4-3-9-30-11/h3-4,9H,2,5-8,10H2,1H3,(H,20,26)(H3,19,21,22,27)