N7-ethyl-6-nitro-N4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[3-[4-(2-pyrimidyl)piperazino]propylamino]quinazolin-7-yl]amine Formula: C21H27N9O2 MolecularWeight: 437.49818

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCCCN3CCN(CC3)C4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N9O2/c1-2-22-18-14-17-16(13-19(18)30(31)32)20(27-15-26-17)23-7-4-8-28-9-11-29(12-10-28)21-24-5-3-6-25-21/h3,5-6,13-15,22H,2,4,7-12H2,1H3,(H,23,26,27)