N4-[[4-[4-(diethylamino)butoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N4-[[4-[4-(diethylamino)butoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine Openeye Name: N4-[[4-[4-(diethylamino)butoxy]phenyl]methyl]-N7-ethyl-6-nitro-quinazoline-4,7-diamine CAS Name: N4-[[4-[4-(diethylamino)butoxy]phenyl]methyl]-N7-ethyl-6-nitroquinazoline-4,7-diamine IUPAC Name: 4-N-[[4-[4-(diethylamino)butoxy]phenyl]methyl]-7-N-ethyl-6-nitroquinazoline-4,7-diamine Traditional Name: diethyl-[4-[4-[[[7-(ethylamino)-6-nitro-quinazolin-4-yl]amino]methyl]phenoxy]butyl]amine Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N6O3/c1-4-26-23-16-22-21(15-24(23)31(32)33)25(29-18-28-22)27-17-19-9-11-20(12-10-19)34-14-8-7-13-30(5-2)6-3/h9-12,15-16,18,26H,4-8,13-14,17H2,1-3H3,(H,27,28,29)