5-(4-nitrophenyl)-2-prop-2-ynylsulfanyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione

Systemtic Name: 5-(4-nitrophenyl)-2-prop-2-ynylsulfanyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione Openeye Name: 5-(4-nitrophenyl)-2-prop-2-ynylsulfanyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione CAS Name: 5-(4-nitrophenyl)-2-(prop-2-ynylthio)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione IUPAC Name: 5-(4-nitrophenyl)-2-prop-2-ynylsulfanyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione Traditional Name: 5-(4-nitrophenyl)-2-(propargylthio)-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-quinone Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C#CCSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C#CCSC1=NC(=O)C2=C(N1)NC(=O)CC2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S/c1-2-7-25-16-18-14-13(15(22)19-16)11(8-12(21)17-14)9-3-5-10(6-4-9)20(23)24/h1,3-6,11H,7-8H2,(H2,17,18,19,21,22)