1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methyl-3-[6-(4-nitrophenoxy)pyrimidin-4-yl]urea

Systemtic Name: 1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methyl-3-[6-(4-nitrophenoxy)pyrimidin-4-yl]urea Openeye Name: 1-[1-(2-dimethylaminoethyl)-4-piperidyl]-1-methyl-3-[6-(4-nitrophenoxy)pyrimidin-4-yl]urea CAS Name: 1-[1-(2-dimethylaminoethyl)-4-piperidinyl]-1-methyl-3-[6-(4-nitrophenoxy)-4-pyrimidinyl]urea IUPAC Name: 1-[1-(2-dimethylaminoethyl)piperidin-4-yl]-1-methyl-3-[6-(4-nitrophenoxy)pyrimidin-4-yl]urea Traditional Name: 1-[1-(2-dimethylaminoethyl)-4-piperidyl]-1-methyl-3-[6-(4-nitrophenoxy)pyrimidin-4-yl]urea Formula: C21H29N7O4 MolecularWeight: 443.49946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1CCC(CC1)N(C)C(=O)NC2=CC(=NC=N2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCN1CCC(CC1)N(C)C(=O)NC2=CC(=NC=N2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N7O4/c1-25(2)12-13-27-10-8-16(9-11-27)26(3)21(29)24-19-14-20(23-15-22-19)32-18-6-4-17(5-7-18)28(30)31/h4-7,14-16H,8-13H2,1-3H3,(H,22,23,24,29)