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

Systemtic Name: 2-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-4-oxidanylidene-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile Openeye Name: 2-(2-ethoxy-5-piperazin-1-ylsulfonyl-phenyl)-4-oxo-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile CAS Name: 2-[2-ethoxy-5-(1-piperazinylsulfonyl)phenyl]-4-oxo-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile IUPAC Name: 2-(2-ethoxy-5-piperazin-1-ylsulfonylphenyl)-4-oxo-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile Traditional Name: 2-(2-ethoxy-5-piperazinosulfonyl-phenyl)-4-keto-1H-pyrido[3,2-d]pyrimidine-8-carbonitrile Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)C3=NC(=O)C4=NC=CC(=C4N3)C#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)C3=NC(=O)C4=NC=CC(=C4N3)C#N

InChI

InChI=1S/C20H20N6O4S/c1-2-30-16-4-3-14(31(28,29)26-9-7-22-8-10-26)11-15(16)19-24-17-13(12-21)5-6-23-18(17)20(27)25-19/h3-6,11,22H,2,7-10H2,1H3,(H,24,25,27)