N6-[(4-methoxyphenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(4-methoxyphenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-methoxyphenyl)methyl]-N4-(4-methylpiperazin-1-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-methoxyphenyl)methyl]-N4-(4-methyl-1-piperazinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-methoxyphenyl)methyl]-4-N-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (4-methylpiperazino)-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amine Formula: C17H23N7O3 MolecularWeight: 373.40962

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

Isomeric SMILES

CN1CCN(CC1)NC2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C17H23N7O3/c1-22-7-9-23(10-8-22)21-17-15(24(25)26)16(19-12-20-17)18-11-13-3-5-14(27-2)6-4-13/h3-6,12H,7-11H2,1-2H3,(H2,18,19,20,21)