7-(3-methyl-4-nitro-phenyl)-1,3-dipropyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 7-(3-methyl-4-nitro-phenyl)-1,3-dipropyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-(3-methyl-4-nitro-phenyl)-1,3-dipropyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-(3-methyl-4-nitrophenyl)-1,3-dipropyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-(3-methyl-4-nitrophenyl)-1,3-dipropyl-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-(3-methyl-4-nitro-phenyl)-1,3-dipropyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=S)N=C(N2)C3=CC(=C(C=C3)[N+](=O)[O-])C)C(=O)N(C1=O)CCC

Isomeric SMILES

CCCN1C2=C(C(=S)N=C(N2)C3=CC(=C(C=C3)[N+](=O)[O-])C)C(=O)N(C1=O)CCC

InChI

InChI=1S/C19H21N5O4S/c1-4-8-22-16-14(18(25)23(9-5-2)19(22)26)17(29)21-15(20-16)12-6-7-13(24(27)28)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,20,21,29)