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

Systemtic Name: 7-(3,5-dimethylphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(3,5-dimethylphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3,5-dimethylphenyl)-1,3-dimethyl-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3,5-dimethylphenyl)-1,3-dimethyl-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(3,5-dimethylphenyl)-1,3-dimethyl-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(C(=N2)SCC#C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(C(=N2)SCC#C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C19H18N4O2S/c1-6-7-26-17-14-16(22(4)19(25)23(5)18(14)24)20-15(21-17)13-9-11(2)8-12(3)10-13/h1,8-10H,7H2,2-5H3