4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-1-carbothioamide Openeye Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-1-carbothioamide CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperazine-1-carbothioamide Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-phenyl-piperazine-1-carbothioamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=S)NC4=CC=CC=C4)N)OC

InChI

InChI=1S/C21H24N6O2S/c1-28-17-12-15-16(13-18(17)29-2)24-20(25-19(15)22)26-8-10-27(11-9-26)21(30)23-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,23,30)(H2,22,24,25)