3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one Openeye Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one CAS Name: 3-[[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]amino]-1-(4-methyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-1-(4-methylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]-1-(4-methylpiperazino)propan-1-one Formula: C18H22ClN7O3 MolecularWeight: 419.86538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCN(CC1)C(=O)CCNC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H22ClN7O3/c1-24-8-10-25(11-9-24)16(27)6-7-20-17-15(26(28)29)12-21-18(23-17)22-14-4-2-13(19)3-5-14/h2-5,12H,6-11H2,1H3,(H2,20,21,22,23)