3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[2-[4-(4-ethanoylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one CAS Name: 3-[2-[4-(4-acetylphenyl)-1-piperazinyl]-2-oxoethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one IUPAC Name: 3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-[2-[4-(4-acetylphenyl)piperazino]-2-keto-ethyl]-2-thioxo-1H-pyrido[2,3-d]pyrimidin-4-one Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(NC3=S)N=CC=C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=C(NC3=S)N=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-14(27)15-4-6-16(7-5-15)24-9-11-25(12-10-24)18(28)13-26-20(29)17-3-2-8-22-19(17)23-21(26)30/h2-8H,9-13H2,1H3,(H,22,23,30)