methyl 4-[5-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanylmethyl]pyridin-3-yl]benzoate

Systemtic Name: methyl 4-[5-[[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]sulfanylmethyl]pyridin-3-yl]benzoate Openeye Name: methyl 4-[5-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanylmethyl]-3-pyridyl]benzoate CAS Name: 4-[5-[[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)thio]methyl]-3-pyridinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(2,6-diamino-4-oxo-1H-pyrimidin-5-yl)sulfanylmethyl]pyridin-3-yl]benzoate Traditional Name: 4-[5-[[(2,6-diamino-4-keto-1H-pyrimidin-5-yl)thio]methyl]-3-pyridyl]benzoic acid methyl ester Formula: C18H17N5O3S MolecularWeight: 383.42428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=CN=C2)CSC3=C(NC(=NC3=O)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=CN=C2)CSC3=C(NC(=NC3=O)N)N

InChI

InChI=1S/C18H17N5O3S/c1-26-17(25)12-4-2-11(3-5-12)13-6-10(7-21-8-13)9-27-14-15(19)22-18(20)23-16(14)24/h2-8H,9H2,1H3,(H5,19,20,22,23,24)