N7-ethyl-N4-[(2-imidazol-1-ylphenyl)methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[(2-imidazol-1-ylphenyl)methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[(2-imidazol-1-ylphenyl)methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[2-(1-imidazolyl)phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[(2-imidazol-1-ylphenyl)methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[(2-imidazol-1-ylbenzyl)amino]-6-nitro-quinazolin-7-yl]amine Formula: C20H19N7O2 MolecularWeight: 389.41056

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N7O2/c1-2-22-17-10-16-15(9-19(17)27(28)29)20(25-12-24-16)23-11-14-5-3-4-6-18(14)26-8-7-21-13-26/h3-10,12-13,22H,2,11H2,1H3,(H,23,24,25)