ethyl 4-[2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-methyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-methyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-keto-3-methyl-5H-pyrimid[5,4-b]indol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C)NC4=CC=CC=C43

InChI

InChI=1S/C20H23N5O4S/c1-3-29-20(28)25-10-8-24(9-11-25)15(26)12-30-19-22-16-13-6-4-5-7-14(13)21-17(16)18(27)23(19)2/h4-7,21H,3,8-12H2,1-2H3