4-(7-bromanyl-9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(7-bromanyl-9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Openeye Name: 4-(7-bromo-9-methoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one CAS Name: 4-(7-bromo-9-methoxy-4-sulfanylidene-1,5-dihydro[1]benzopyrano[2,3-d]pyrimidin-2-ylidene)-1-cyclohexa-2,5-dienone IUPAC Name: 4-(7-bromo-9-methoxy-4-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Traditional Name: 4-(7-bromo-9-methoxy-4-thioxo-1,5-dihydrochromeno[2,3-d]pyrimidin-2-ylidene)cyclohexa-2,5-dien-1-one Formula: C18H13BrN2O3S MolecularWeight: 417.27642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Br)CC3=C(O2)NC(=C4C=CC(=O)C=C4)NC3=S

Isomeric SMILES

COC1=C2C(=CC(=C1)Br)CC3=C(O2)NC(=C4C=CC(=O)C=C4)NC3=S

InChI

InChI=1S/C18H13BrN2O3S/c1-23-14-8-11(19)6-10-7-13-17(24-15(10)14)20-16(21-18(13)25)9-2-4-12(22)5-3-9/h2-6,8,20H,7H2,1H3,(H,21,25)