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

Systemtic Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-prop-2-ynylsulfanyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-(prop-2-ynylthio)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-prop-2-ynylsulfanylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-7-(4-nitrophenyl)-5-(propargylthio)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C17H13N5O4S MolecularWeight: 383.38122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC#C)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC#C)C(=O)N(C1=O)C

InChI

InChI=1S/C17H13N5O4S/c1-4-9-27-15-12-14(20(2)17(24)21(3)16(12)23)18-13(19-15)10-5-7-11(8-6-10)22(25)26/h1,5-8H,9H2,2-3H3