(E)-3-[2-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(4-methyl-1,4-diazepan-1-yl)-4-oxidanylidene-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[8-[2-(4-isopropylthiazol-2-yl)ethyl]-2-(4-methyl-1,4-diazepan-1-yl)-4-oxo-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(4-methyl-1,4-diazepan-1-yl)-4-oxo-8-[2-(4-propan-2-yl-2-thiazolyl)ethyl]-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(4-methyl-1,4-diazepan-1-yl)-4-oxo-8-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyrido[1,2-a]pyrimidin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[8-[2-(4-isopropylthiazol-2-yl)ethyl]-4-keto-2-(4-methyl-1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-3-yl]acrylic acid Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)CCC2=CC3=NC(=C(C(=O)N3C=C2)C=CC(=O)O)N4CCCN(CC4)C

Isomeric SMILES

CC(C)C1=CSC(=N1)CCC2=CC3=NC(=C(C(=O)N3C=C2)/C=C/C(=O)O)N4CCCN(CC4)C

InChI

InChI=1S/C25H31N5O3S/c1-17(2)20-16-34-22(26-20)7-5-18-9-12-30-21(15-18)27-24(19(25(30)33)6-8-23(31)32)29-11-4-10-28(3)13-14-29/h6,8-9,12,15-17H,4-5,7,10-11,13-14H2,1-3H3,(H,31,32)/b8-6+