6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione

Systemtic Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione Openeye Name: 6-(3-ethyl-4-methyl-anilino)-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione CAS Name: 6-(3-ethyl-4-methylanilino)-3-[4-(1-piperazinyl)butyl]-1H-pyrimidine-2,4-dione IUPAC Name: 6-(3-ethyl-4-methylanilino)-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione Traditional Name: 6-(3-ethyl-4-methyl-anilino)-3-(4-piperazinobutyl)uracil Formula: C21H31N5O2 MolecularWeight: 385.50314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCN3CCNCC3)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCN3CCNCC3)C

InChI

InChI=1S/C21H31N5O2/c1-3-17-14-18(7-6-16(17)2)23-19-15-20(27)26(21(28)24-19)11-5-4-10-25-12-8-22-9-13-25/h6-7,14-15,22-23H,3-5,8-13H2,1-2H3,(H,24,28)