2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-oxidanylidene-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile

Systemtic Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-oxidanylidene-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile Openeye Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-4-oxo-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile CAS Name: 2-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-4-oxo-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile IUPAC Name: 2-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-oxo-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile Traditional Name: 2-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-4-keto-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=NC=CC(=C4N3)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=NC=CC(=C4N3)C#N

InChI

InChI=1S/C21H22N6O4S/c1-3-31-17-5-4-15(32(29,30)27-10-8-26(2)9-11-27)12-16(17)20-24-18-14(13-22)6-7-23-19(18)21(28)25-20/h4-7,12H,3,8-11H2,1-2H3,(H,24,25,28)