3-[3-[(4-isocyano-4-phenyl-cyclohexyl)amino]propyl]-5-methyl-1H-pyrimidine-2,4-dione

Systemtic Name: 3-[3-[(4-isocyano-4-phenyl-cyclohexyl)amino]propyl]-5-methyl-1H-pyrimidine-2,4-dione Openeye Name: 3-[3-[(4-isocyano-4-phenyl-cyclohexyl)amino]propyl]-5-methyl-1H-pyrimidine-2,4-dione CAS Name: 3-[3-[(4-isocyano-4-phenylcyclohexyl)amino]propyl]-5-methyl-1H-pyrimidine-2,4-dione IUPAC Name: 3-[3-[(4-isocyano-4-phenylcyclohexyl)amino]propyl]-5-methyl-1H-pyrimidine-2,4-dione Traditional Name: 3-[3-[(4-isocyano-4-phenyl-cyclohexyl)amino]propyl]-5-methyl-uracil Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)N(C1=O)CCCNC2CCC(CC2)(C3=CC=CC=C3)[N+]#[C-]

Isomeric SMILES

CC1=CNC(=O)N(C1=O)CCCNC2CCC(CC2)(C3=CC=CC=C3)[N+]#[C-]

InChI

InChI=1S/C21H26N4O2/c1-16-15-24-20(27)25(19(16)26)14-6-13-23-18-9-11-21(22-2,12-10-18)17-7-4-3-5-8-17/h3-5,7-8,15,18,23H,6,9-14H2,1H3,(H,24,27)