N7-ethyl-N2-[(heptylamino)-phenyl-methyl]-6-nitro-quinazoline-2,7-diamine

Systemtic Name: N7-ethyl-N2-[(heptylamino)-phenyl-methyl]-6-nitro-quinazoline-2,7-diamine Openeye Name: N7-ethyl-N2-[(heptylamino)-phenyl-methyl]-6-nitro-quinazoline-2,7-diamine CAS Name: N7-ethyl-N2-[(heptylamino)-phenylmethyl]-6-nitroquinazoline-2,7-diamine IUPAC Name: 7-N-ethyl-2-N-[(heptylamino)-phenylmethyl]-6-nitroquinazoline-2,7-diamine Traditional Name: ethyl-[2-[[(heptylamino)-phenyl-methyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C24H32N6O2 MolecularWeight: 436.54988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(C1=CC=CC=C1)NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])NCC

Isomeric SMILES

CCCCCCCNC(C1=CC=CC=C1)NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])NCC

InChI

InChI=1S/C24H32N6O2/c1-3-5-6-7-11-14-26-23(18-12-9-8-10-13-18)29-24-27-17-19-15-22(30(31)32)21(25-4-2)16-20(19)28-24/h8-10,12-13,15-17,23,25-26H,3-7,11,14H2,1-2H3,(H,27,28,29)