3-[7-chloranyl-3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile

Systemtic Name: 3-[7-chloranyl-3-(4-methoxyphenyl)-4-methyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzenecarbonitrile Openeye Name: 3-[7-chloro-3-(4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile CAS Name: 3-[7-chloro-3-(4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile IUPAC Name: 3-[7-chloro-3-(4-methoxyphenyl)-4-methyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Traditional Name: 3-[7-chloro-2-keto-3-(4-methoxyphenyl)-4-methyl-4H-pyrimido[4,5-d]pyrimidin-1-yl]benzonitrile Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CN=C(N=C2N(C(=O)N1C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C#N)Cl

Isomeric SMILES

CC1C2=CN=C(N=C2N(C(=O)N1C3=CC=C(C=C3)OC)C4=CC=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H16ClN5O2/c1-13-18-12-24-20(22)25-19(18)27(16-5-3-4-14(10-16)11-23)21(28)26(13)15-6-8-17(29-2)9-7-15/h3-10,12-13H,1-2H3