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

Systemtic Name: 3-methyl-7-propan-2-yl-1-propyl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-isopropyl-3-methyl-1-propyl-5-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-methyl-7-propan-2-yl-1-propyl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylthio]pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-methyl-7-propan-2-yl-1-propyl-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-isopropyl-3-methyl-1-propyl-5-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methylthio]pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H22N6O3S2 MolecularWeight: 458.55708

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC3=NC(=NO3)C4=CC=CS4)C(=O)N(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC(=N2)C(C)C)SCC3=NC(=NO3)C4=CC=CS4)C(=O)N(C1=O)C

InChI

InChI=1S/C20H22N6O3S2/c1-5-8-26-17-14(19(27)25(4)20(26)28)18(23-15(22-17)11(2)3)31-10-13-21-16(24-29-13)12-7-6-9-30-12/h6-7,9,11H,5,8,10H2,1-4H3