ethyl 4-[4-oxidanylidene-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-oxidanylidene-2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]piperidine-1-carboxylate CAS Name: 4-[4-oxo-2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-quinazolinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-oxo-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-keto-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]quinazolin-3-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)N5C=CC=CC5=N4

InChI

InChI=1S/C25H25N5O4S/c1-2-34-25(33)28-13-10-18(11-14-28)30-23(32)19-7-3-4-8-20(19)27-24(30)35-16-17-15-22(31)29-12-6-5-9-21(29)26-17/h3-9,12,15,18H,2,10-11,13-14,16H2,1H3