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

Systemtic Name: N7-ethyl-6-nitro-N4-[(4-pyrrolidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[(4-pyrrolidin-1-ylphenyl)methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[4-(1-pyrrolidinyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[(4-pyrrolidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[(4-pyrrolidinobenzyl)amino]quinazolin-7-yl]amine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O2/c1-2-22-19-12-18-17(11-20(19)27(28)29)21(25-14-24-18)23-13-15-5-7-16(8-6-15)26-9-3-4-10-26/h5-8,11-12,14,22H,2-4,9-10,13H2,1H3,(H,23,24,25)