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

Systemtic Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione dichloride Openeye Name: 6-(3-ethyl-4-methyl-anilino)-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione dichloride CAS Name: 6-(3-ethyl-4-methylanilino)-3-[4-(1-piperazinyl)butyl]-1H-pyrimidine-2,4-dione dichloride IUPAC Name: 6-(3-ethyl-4-methylanilino)-3-(4-piperazin-1-ylbutyl)-1H-pyrimidine-2,4-dione dichloride Traditional Name: 6-(3-ethyl-4-methyl-anilino)-3-(4-piperazinobutyl)uracil dichloride Formula: C21H31Cl2N5O2-2 MolecularWeight: 456.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCN3CCNCC3)C.[Cl-].[Cl-]

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=CC(=O)N(C(=O)N2)CCCCN3CCNCC3)C.[Cl-].[Cl-]

InChI

InChI=1S/C21H31N5O2.2ClH/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);2*1H/p-2