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

Systemtic Name: N7-ethyl-6-nitro-N4-[[2-(4-piperidin-1-ylbutoxy)phenyl]methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[2-[4-(1-piperidyl)butoxy]phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[2-[4-(1-piperidinyl)butoxy]phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[[2-(4-piperidin-1-ylbutoxy)phenyl]methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[[2-(4-piperidinobutoxy)benzyl]amino]quinazolin-7-yl]amine Formula: C26H34N6O3 MolecularWeight: 478.58656

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCCN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC=CC=C3OCCCCN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C26H34N6O3/c1-2-27-23-17-22-21(16-24(23)32(33)34)26(30-19-29-22)28-18-20-10-4-5-11-25(20)35-15-9-8-14-31-12-6-3-7-13-31/h4-5,10-11,16-17,19,27H,2-3,6-9,12-15,18H2,1H3,(H,28,29,30)