N-[[7-cyano-6-(3-methylfuran-2-yl)-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxy-benzamide

Systemtic Name: N-[[7-cyano-6-(3-methylfuran-2-yl)-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxy-benzamide Openeye Name: N-[[7-cyano-6-(3-methyl-2-furyl)-4-thioxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxy-benzamide CAS Name: N-[[7-cyano-6-(3-methyl-2-furanyl)-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxybenzamide IUPAC Name: N-[[7-cyano-6-(3-methylfuran-2-yl)-4-sulfanylidene-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxybenzamide Traditional Name: N-[[7-cyano-6-(3-methyl-2-furyl)-4-thioxo-1H-pyrrolo[3,2-d]pyrimidin-5-yl]methyl]-4-methoxy-benzamide Formula: C21H17N5O3S MolecularWeight: 419.45638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C2=C(C3=C(N2CNC(=O)C4=CC=C(C=C4)OC)C(=S)N=CN3)C#N

Isomeric SMILES

CC1=C(OC=C1)C2=C(C3=C(N2CNC(=O)C4=CC=C(C=C4)OC)C(=S)N=CN3)C#N

InChI

InChI=1S/C21H17N5O3S/c1-12-7-8-29-19(12)17-15(9-22)16-18(21(30)24-10-23-16)26(17)11-25-20(27)13-3-5-14(28-2)6-4-13/h3-8,10H,11H2,1-2H3,(H,25,27)(H,23,24,30)