(2R)-2-azanyl-N-[3-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-5-methylsulfanyl-N-phenyl-pentanamide

Systemtic Name: (2R)-2-azanyl-N-[3-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-5-methylsulfanyl-N-phenyl-pentanamide Openeye Name: (2R)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-5-methylsulfanyl-N-phenyl-pentanamide CAS Name: (2R)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-5-(methylthio)-N-phenylpentanamide IUPAC Name: (2R)-2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-5-methylsulfanyl-N-phenylpentanamide Traditional Name: (2R)-2-amino-N-[2-keto-3-(4-methoxyphenyl)-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-5-(methylthio)-N-phenyl-valeramide Formula: C31H32N6O3S MolecularWeight: 568.68918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4=CC=CC=C4)N(C5=CC=CC=C5)C(=O)C(CCCSC)N

Isomeric SMILES

COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4=CC=CC=C4)N(C5=CC=CC=C5)C(=O)[C@@H](CCCSC)N

InChI

InChI=1S/C31H32N6O3S/c1-40-26-17-15-23(16-18-26)35-21-22-20-33-30(34-28(22)36(31(35)39)24-10-5-3-6-11-24)37(25-12-7-4-8-13-25)29(38)27(32)14-9-19-41-2/h3-8,10-13,15-18,20,27H,9,14,19,21,32H2,1-2H3/t27-/m1/s1