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

Systemtic Name: 4-(diethylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine Openeye Name: N2-benzyl-4-(diethylaminomethyl)-N7-ethyl-6-nitro-quinazoline-2,7-diamine CAS Name: 4-(diethylaminomethyl)-N7-ethyl-6-nitro-N2-(phenylmethyl)quinazoline-2,7-diamine IUPAC Name: 2-N-benzyl-4-(diethylaminomethyl)-7-N-ethyl-6-nitroquinazoline-2,7-diamine Traditional Name: [2-(benzylamino)-7-(ethylamino)-6-nitro-quinazolin-4-yl]methyl-diethyl-amine Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O2/c1-4-23-19-13-18-17(12-21(19)28(29)30)20(15-27(5-2)6-3)26-22(25-18)24-14-16-10-8-7-9-11-16/h7-13,23H,4-6,14-15H2,1-3H3,(H,24,25,26)