N7-ethyl-6-nitro-N4-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-[3-(1-piperidyl)propoxy]phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-[3-(1-piperidinyl)propoxy]phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-(3-piperidin-1-ylpropoxy)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-(3-piperidinopropoxy)benzyl]amino]quinazolin-7-yl]amine Formula: C25H32N6O3 MolecularWeight: 464.55998

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H32N6O3/c1-2-26-22-16-21-20(15-23(22)31(32)33)25(29-18-28-21)27-17-19-9-4-5-10-24(19)34-14-8-13-30-11-6-3-7-12-30/h4-5,9-10,15-16,18,26H,2-3,6-8,11-14,17H2,1H3,(H,27,28,29)