5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(3-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-1-(3-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-1-(3-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H21N3O3S/c1-12-9-14(13(2)23(12)15-7-8-15)10-18-19(25)22-21(28)24(20(18)26)16-5-4-6-17(11-16)27-3/h4-6,9-11,15H,7-8H2,1-3H3,(H,22,25,28)