4-(dimethylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine

Systemtic Name: 4-(dimethylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine Openeye Name: N2-benzyl-4-(dimethylaminomethyl)-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: 4-(dimethylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine IUPAC Name: 2-N-benzyl-4-(dimethylaminomethyl)-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: [2-(benzylamino)-7-(ethylamino)-6-nitro-quinazolin-4-yl]methyl-dimethyl-amine Formula: C20H24N6O2 MolecularWeight: 380.44356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=C(N=C2CN(C)C)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=C(N=C2CN(C)C)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N6O2/c1-4-21-17-11-16-15(10-19(17)26(27)28)18(13-25(2)3)24-20(23-16)22-12-14-8-6-5-7-9-14/h5-11,21H,4,12-13H2,1-3H3,(H,22,23,24)