4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(1,3-thiazol-2-yl)phthalazine-6-carbonitrile hydrochloride

Systemtic Name: 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-1-(1,3-thiazol-2-yl)phthalazine-6-carbonitrile hydrochloride Openeye Name: 4-[(3-chloro-4-methoxy-phenyl)methylamino]-1-thiazol-2-yl-phthalazine-6-carbonitrile hydrochloride CAS Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(2-thiazolyl)-6-phthalazinecarbonitrile hydrochloride IUPAC Name: 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(1,3-thiazol-2-yl)phthalazine-6-carbonitrile hydrochloride Traditional Name: 4-[(3-chloro-4-methoxy-benzyl)amino]-1-thiazol-2-yl-phthalazine-6-carbonitrile hydrochloride Formula: C20H15Cl2N5OS MolecularWeight: 444.337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=NC=CS4)Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NN=C(C3=C2C=C(C=C3)C#N)C4=NC=CS4)Cl.Cl

InChI

InChI=1S/C20H14ClN5OS.ClH/c1-27-17-5-3-13(9-16(17)21)11-24-19-15-8-12(10-22)2-4-14(15)18(25-26-19)20-23-6-7-28-20;/h2-9H,11H2,1H3,(H,24,26);1H