N7-ethyl-N4-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-N4-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine Openeye Name: N7-ethyl-N4-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitro-quinazoline-4,7-diamine CAS Name: N7-ethyl-N4-[[4-[2-(4-ethyl-1-piperazinyl)ethoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-4-N-[[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-6-nitroquinazoline-4,7-diamine Traditional Name: ethyl-[4-[[4-[2-(4-ethylpiperazino)ethoxy]benzyl]amino]-6-nitro-quinazolin-7-yl]amine Formula: C25H33N7O3 MolecularWeight: 479.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)OCCN4CCN(CC4)CC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=C(C=C3)OCCN4CCN(CC4)CC)[N+](=O)[O-]

InChI

InChI=1S/C25H33N7O3/c1-3-26-23-16-22-21(15-24(23)32(33)34)25(29-18-28-22)27-17-19-5-7-20(8-6-19)35-14-13-31-11-9-30(4-2)10-12-31/h5-8,15-16,18,26H,3-4,9-14,17H2,1-2H3,(H,27,28,29)