N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

Systemtic Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Openeye Name: N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine CAS Name: N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-6-(4-phenyl-1-piperazinyl)-4-pyrimidinamine IUPAC Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(4-phenylpiperazino)pyrimidin-4-yl]amine Formula: C21H29N7O2 MolecularWeight: 411.50066

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H29N7O2/c1-24-10-8-17(9-11-24)25(2)20-19(28(29)30)21(23-16-22-20)27-14-12-26(13-15-27)18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3