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

Systemtic Name: 2-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenethyl-pteridin-4-one Openeye Name: 2-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenethyl-pteridin-4-one CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-phenethyl-4-pteridinone IUPAC Name: 2-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-phenethylpteridin-4-one Traditional Name: 2-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methylthio]-3-phenethyl-pteridin-4-one Formula: C23H17ClN6O2S MolecularWeight: 476.93808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=NC=CN=C3N=C2SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

InChI

InChI=1S/C23H17ClN6O2S/c24-16-6-7-18-27-17(12-19(31)30(18)13-16)14-33-23-28-21-20(25-9-10-26-21)22(32)29(23)11-8-15-4-2-1-3-5-15/h1-7,9-10,12-13H,8,11,14H2