2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)pteridin-4-one

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)pteridin-4-one Openeye Name: 3-benzyl-2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pteridin-4-one CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(phenylmethyl)-4-pteridinone IUPAC Name: 3-benzyl-2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pteridin-4-one Traditional Name: 3-benzyl-2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]pteridin-4-one Formula: C22H15ClN6O2S MolecularWeight: 462.9115

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C22H15ClN6O2S/c23-15-6-7-17-26-16(10-18(30)28(17)12-15)13-32-22-27-20-19(24-8-9-25-20)21(31)29(22)11-14-4-2-1-3-5-14/h1-10,12H,11,13H2