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

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N-(4-azidophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(4-azidophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N-(4-azidophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-(4-azidophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N-(4-azidophenyl)piperazine-1-carbothioamide Formula: C21H23N9O2S MolecularWeight: 465.53142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N9O2S/c1-31-17-11-15-16(12-18(17)32-2)25-20(26-19(15)22)29-7-9-30(10-8-29)21(33)24-13-3-5-14(6-4-13)27-28-23/h3-6,11-12H,7-10H2,1-2H3,(H,24,33)(H2,22,25,26)