7-(2-methoxyphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(2-methoxyphenyl)-1,3-dimethyl-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC#C)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3OC)SCC#C)C(=O)N(C1=O)C

InChI

InChI=1S/C18H16N4O3S/c1-5-10-26-16-13-15(21(2)18(24)22(3)17(13)23)19-14(20-16)11-8-6-7-9-12(11)25-4/h1,6-9H,10H2,2-4H3