4-[3-(dimethylamino)propoxy]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine

Systemtic Name: 4-[3-(dimethylamino)propoxy]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine Openeye Name: N2-benzyl-4-[3-(dimethylamino)propoxy]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: 4-[3-(dimethylamino)propoxy]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine IUPAC Name: 2-N-benzyl-4-[3-(dimethylamino)propoxy]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: 3-[2-(benzylamino)-7-(ethylamino)-6-nitro-quinazolin-4-yl]oxypropyl-dimethyl-amine Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=C(N=C2OCCCN(C)C)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=C(N=C2OCCCN(C)C)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O3/c1-4-23-19-14-18-17(13-20(19)28(29)30)21(31-12-8-11-27(2)3)26-22(25-18)24-15-16-9-6-5-7-10-16/h5-7,9-10,13-14,23H,4,8,11-12,15H2,1-3H3,(H,24,25,26)