N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-bis(oxidanylidene)pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-ethanamide Openeye Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-pyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-acetamide CAS Name: N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-[[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5-pyrimido[4,5-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[7-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanylacetamide Traditional Name: 2-[[2,4-diketo-7-(4-methoxyphenyl)-1,3-dimethyl-pyrimido[4,5-d]pyrimidin-5-yl]thio]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C21H21N7O4S3 MolecularWeight: 531.63094

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CSC2=NC(=NC3=C2C(=O)N(C(=O)N3C)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H21N7O4S3/c1-5-33-20-26-25-19(35-20)22-13(29)10-34-17-14-16(27(2)21(31)28(3)18(14)30)23-15(24-17)11-6-8-12(32-4)9-7-11/h6-9H,5,10H2,1-4H3,(H,22,25,29)