7-(4-bromophenyl)-1,3-dimethyl-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-bromophenyl)-1,3-dimethyl-5-[2-(1-piperidyl)ethylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-bromophenyl)-1,3-dimethyl-5-[2-(1-piperidinyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-piperidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-piperidinoethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H24BrN5O2S MolecularWeight: 490.41656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Br)SCCN4CCCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Br)SCCN4CCCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C21H24BrN5O2S/c1-25-18-16(20(28)26(2)21(25)29)19(30-13-12-27-10-4-3-5-11-27)24-17(23-18)14-6-8-15(22)9-7-14/h6-9H,3-5,10-13H2,1-2H3