(E)-3-[8-[(4-cyclobutyl-1,3-thiazol-2-yl)carbamoyl]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[8-[(4-cyclobutyl-1,3-thiazol-2-yl)carbamoyl]-2-(4-methylpiperazin-1-yl)-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[8-[(4-cyclobutylthiazol-2-yl)carbamoyl]-2-(4-methylpiperazin-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid CAS Name: (E)-3-[8-[[(4-cyclobutyl-2-thiazolyl)amino]-oxomethyl]-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[8-[(4-cyclobutyl-1,3-thiazol-2-yl)carbamoyl]-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[8-[(4-cyclobutylthiazol-2-yl)carbamoyl]-4-keto-2-(4-methylpiperazino)pyrido[1,2-a]pyrimidin-3-yl]acrylic acid Formula: C24H26N6O4S MolecularWeight: 494.56604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=O)N3C=CC(=CC3=N2)C(=O)NC4=NC(=CS4)C5CCC5)C=CC(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=O)N3C=CC(=CC3=N2)C(=O)NC4=NC(=CS4)C5CCC5)/C=C/C(=O)O

InChI

InChI=1S/C24H26N6O4S/c1-28-9-11-29(12-10-28)21-17(5-6-20(31)32)23(34)30-8-7-16(13-19(30)26-21)22(33)27-24-25-18(14-35-24)15-3-2-4-15/h5-8,13-15H,2-4,9-12H2,1H3,(H,31,32)(H,25,27,33)/b6-5+