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

Systemtic Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-bromophenyl)-1,3-dimethyl-5-[2-(1-pyrrolidinyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(4-bromophenyl)-1,3-dimethyl-5-(2-pyrrolidinoethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22BrN5O2S MolecularWeight: 476.38998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Br)SCCN4CCCC4)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)Br)SCCN4CCCC4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H22BrN5O2S/c1-24-17-15(19(27)25(2)20(24)28)18(29-12-11-26-9-3-4-10-26)23-16(22-17)13-5-7-14(21)8-6-13/h5-8H,3-4,9-12H2,1-2H3