4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(1-oxidanylidene-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-8-(1-oxidanylidene-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-8-(1-oxo-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(1-oxo-1,4-thiazinan-4-yl)-6-phthalazinecarbonitrile IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-8-(1-oxo-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-8-(1-keto-1,4-thiazinan-4-yl)phthalazine-6-carbonitrile Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCS(=O)CC4)C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=C3C=C(C=C(C3=CN=N2)N4CCS(=O)CC4)C#N)Cl

InChI

InChI=1S/C21H20ClN5O2S/c1-29-20-3-2-14(9-18(20)22)12-24-21-16-8-15(11-23)10-19(17(16)13-25-26-21)27-4-6-30(28)7-5-27/h2-3,8-10,13H,4-7,12H2,1H3,(H,24,26)