4-[4-(diethylamino)butoxy]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine

Systemtic Name: 4-[4-(diethylamino)butoxy]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine Openeye Name: N2-benzyl-4-[4-(diethylamino)butoxy]-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: 4-[4-(diethylamino)butoxy]-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine IUPAC Name: 2-N-benzyl-4-[4-(diethylamino)butoxy]-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: 4-[2-(benzylamino)-7-(ethylamino)-6-nitro-quinazolin-4-yl]oxybutyl-diethyl-amine Formula: C25H34N6O3 MolecularWeight: 466.57586

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=C(N=C2OCCCCN(CC)CC)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=C(N=C2OCCCCN(CC)CC)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H34N6O3/c1-4-26-22-17-21-20(16-23(22)31(32)33)24(34-15-11-10-14-30(5-2)6-3)29-25(28-21)27-18-19-12-8-7-9-13-19/h7-9,12-13,16-17,26H,4-6,10-11,14-15,18H2,1-3H3,(H,27,28,29)