(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br)C

InChI

InChI=1S/C18H17BrN2O3S/c1-3-4-12-7-15(25-11(12)2)18(23)24-10-14-8-17(22)21-9-13(19)5-6-16(21)20-14/h5-9H,3-4,10H2,1-2H3