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

Systemtic Name: 2-[4-(5-azanyl-1-methyl-1,2,4-triazol-3-yl)-1,4-diazepan-1-yl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,4-diazepan-1-yl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,4-diazepan-1-yl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[4-(5-amino-1-methyl-1,2,4-triazol-3-yl)-1,4-diazepan-1-yl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [5-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-1,4-diazepan-1-yl]-2-methyl-1,2,4-triazol-3-yl]amine Formula: C18H25N9O2 MolecularWeight: 399.4502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)N

Isomeric SMILES

CN1C(=NC(=N1)N2CCCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC)N

InChI

InChI=1S/C18H25N9O2/c1-25-16(20)23-18(24-25)27-6-4-5-26(7-8-27)17-21-12-10-14(29-3)13(28-2)9-11(12)15(19)22-17/h9-10H,4-8H2,1-3H3,(H2,19,21,22)(H2,20,23,24)