3-methyl-5-[2-(phenylsulfinyl)ethylsulfanyl]-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3-methyl-5-[2-(phenylsulfinyl)ethylsulfanyl]-7-propan-2-yl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[2-(benzenesulfinyl)ethylsulfanyl]-7-isopropyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[2-(benzenesulfinyl)ethylthio]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[2-(benzenesulfinyl)ethylsulfanyl]-3-methyl-7-propan-2-yl-1-propylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[2-(benzenesulfinyl)ethylthio]-7-isopropyl-3-methyl-1-propyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCCS(=O)C3=CC=CC=C3)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCCS(=O)C3=CC=CC=C3)C(=O)N(C1=O)C

InChI

InChI=1S/C21H26N4O3S2/c1-5-11-25-18-16(20(26)24(4)21(25)27)19(23-17(22-18)14(2)3)29-12-13-30(28)15-9-7-6-8-10-15/h6-10,14H,5,11-13H2,1-4H3