(4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium

Systemtic Name: (4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)carbonyl-(4-methyl-2-oxidanyl-5,6,8,8a-tetrahydrochromen-7-ylidene)azanium Openeye Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carbonyl]ammonium CAS Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydro-1-benzopyran-7-ylidene)-[[4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinyl]-oxomethyl]ammonium IUPAC Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-(4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carbonyl)azanium Traditional Name: (2-hydroxy-4-methyl-5,6,8,8a-tetrahydrochromen-7-ylidene)-[4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carbonyl]ammonium Formula: C21H22N3O3S2+ MolecularWeight: 428.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(=[NH+]C(=O)C3=C(N=C(N=C3SC)C4=CC=CS4)C)CC2OC(=C1)O

Isomeric SMILES

CC1=C2CCC(=[NH+]C(=O)C3=C(N=C(N=C3SC)C4=CC=CS4)C)CC2OC(=C1)O

InChI

InChI=1S/C21H21N3O3S2/c1-11-9-17(25)27-15-10-13(6-7-14(11)15)23-20(26)18-12(2)22-19(24-21(18)28-3)16-5-4-8-29-16/h4-5,8-9,15,25H,6-7,10H2,1-3H3/p+1