2-[4-(5-azanyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: 2-[4-(5-azanyl-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[4-(5-amino-1H-1,2,4-triazol-3-yl)-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [3-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazino]-1H-1,2,4-triazol-5-yl]amine Formula: C16H21N9O2 MolecularWeight: 371.39704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NNC(=N4)N)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C4=NNC(=N4)N)N)OC

InChI

InChI=1S/C16H21N9O2/c1-26-11-7-9-10(8-12(11)27-2)19-15(20-13(9)17)24-3-5-25(6-4-24)16-21-14(18)22-23-16/h7-8H,3-6H2,1-2H3,(H2,17,19,20)(H3,18,21,22,23)