N-(2-methoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(2-methoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-methoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(2-methoxyphenyl)-6-methyl-2-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(2-methoxyphenyl)-6-methyl-2-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-methoxyphenyl)-[6-methyl-2-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N2CCN(CC2)C)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N2CCN(CC2)C)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-12-15(23(24)25)16(19-13-6-4-5-7-14(13)26-3)20-17(18-12)22-10-8-21(2)9-11-22/h4-7H,8-11H2,1-3H3,(H,18,19,20)