2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)pteridin-4-one

Systemtic Name: 2-[(4-oxidanylidenepyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(phenylmethyl)pteridin-4-one Openeye Name: 3-benzyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pteridin-4-one CAS Name: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(phenylmethyl)-4-pteridinone IUPAC Name: 3-benzyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]pteridin-4-one Traditional Name: 3-benzyl-2-[(4-ketopyrido[1,2-a]pyrimidin-2-yl)methylthio]pteridin-4-one Formula: C22H16N6O2S MolecularWeight: 428.46644

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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=CC=CC5=N4

Isomeric SMILES

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

InChI

InChI=1S/C22H16N6O2S/c29-18-12-16(25-17-8-4-5-11-27(17)18)14-31-22-26-20-19(23-9-10-24-20)21(30)28(22)13-15-6-2-1-3-7-15/h1-12H,13-14H2