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

Systemtic Name: 2-azanyl-N-[3-(4-methoxyphenyl)-2-oxidanylidene-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-4-methylsulfanyl-N-phenyl-butanamide Openeye Name: 2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-4-methylsulfanyl-N-phenyl-butanamide CAS Name: 2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-4-(methylthio)-N-phenylbutanamide IUPAC Name: 2-amino-N-[3-(4-methoxyphenyl)-2-oxo-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-4-methylsulfanyl-N-phenylbutanamide Traditional Name: 2-amino-N-[2-keto-3-(4-methoxyphenyl)-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-7-yl]-4-(methylthio)-N-phenyl-butyramide Formula: C30H30N6O3S MolecularWeight: 554.6626

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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(CCSC)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(CCSC)N

InChI

InChI=1S/C30H30N6O3S/c1-39-25-15-13-22(14-16-25)34-20-21-19-32-29(33-27(21)35(30(34)38)23-9-5-3-6-10-23)36(24-11-7-4-8-12-24)28(37)26(31)17-18-40-2/h3-16,19,26H,17-18,20,31H2,1-2H3