methyl 4-[4-[4,6-bis(azanyl)-2-sulfanylidene-1H-pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoate

Systemtic Name: methyl 4-[4-[4,6-bis(azanyl)-2-sulfanylidene-1H-pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoate Openeye Name: methyl 4-[4-(4,6-diamino-2-thioxo-1H-pyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoate CAS Name: 4-[4-(4,6-diamino-2-sulfanylidene-1H-pyrimidin-5-yl)-5,5-dimethoxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4,6-diamino-2-sulfanylidene-1H-pyrimidin-5-yl)-5,5-dimethoxypentyl]benzoate Traditional Name: 4-[4-(4,6-diamino-2-thioxo-1H-pyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoic acid methyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCCC1=CC=C(C=C1)C(=O)OC)C2=C(NC(=S)N=C2N)N)OC

Isomeric SMILES

COC(C(CCCC1=CC=C(C=C1)C(=O)OC)C2=C(NC(=S)N=C2N)N)OC

InChI

InChI=1S/C19H26N4O4S/c1-25-17(24)12-9-7-11(8-10-12)5-4-6-13(18(26-2)27-3)14-15(20)22-19(28)23-16(14)21/h7-10,13,18H,4-6H2,1-3H3,(H5,20,21,22,23,28)