4-[methyl-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexan-1-ol

Systemtic Name: 4-[methyl-[2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-5-nitro-pyrimidin-4-yl]amino]cyclohexan-1-ol Openeye Name: 4-[methyl-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-nitro-pyrimidin-4-yl]amino]cyclohexanol CAS Name: 4-[methyl-[2-[4-(4-methyl-1-piperazinyl)anilino]-5-nitro-4-pyrimidinyl]amino]-1-cyclohexanol IUPAC Name: 4-[methyl-[2-[4-(4-methylpiperazin-1-yl)anilino]-5-nitropyrimidin-4-yl]amino]cyclohexan-1-ol Traditional Name: 4-[methyl-[2-[4-(4-methylpiperazino)anilino]-5-nitro-pyrimidin-4-yl]amino]cyclohexanol Formula: C22H31N7O3 MolecularWeight: 441.52664

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N(C)C4CCC(CC4)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)N(C)C4CCC(CC4)O)[N+](=O)[O-]

InChI

InChI=1S/C22H31N7O3/c1-26-11-13-28(14-12-26)18-5-3-16(4-6-18)24-22-23-15-20(29(31)32)21(25-22)27(2)17-7-9-19(30)10-8-17/h3-6,15,17,19,30H,7-14H2,1-2H3,(H,23,24,25)