N4-cyclopropyl-N2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[3-methyl-2-(4-methyl-1-piperazinyl)butyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[[3-methyl-2-(4-methylpiperazino)butyl]amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H29N7O2 MolecularWeight: 363.45786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-])N3CCN(CC3)C

Isomeric SMILES

CC(C)C(CNC1=NC=C(C(=N1)NC2CC2)[N+](=O)[O-])N3CCN(CC3)C

InChI

InChI=1S/C17H29N7O2/c1-12(2)14(23-8-6-22(3)7-9-23)10-18-17-19-11-15(24(25)26)16(21-17)20-13-4-5-13/h11-14H,4-10H2,1-3H3,(H2,18,19,20,21)