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

Systemtic Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-[2-(1-pyrrolidinyl)ethylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(4-ethoxyphenyl)-1,3-dimethyl-5-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-p-phenetyl-5-(2-pyrrolidinoethylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCCN4CCCC4)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C(=N2)SCCN4CCCC4)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C22H27N5O3S/c1-4-30-16-9-7-15(8-10-16)18-23-19-17(21(28)26(3)22(29)25(19)2)20(24-18)31-14-13-27-11-5-6-12-27/h7-10H,4-6,11-14H2,1-3H3