methyl 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylmethyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[(4,6-diamino-2-pyrimidinyl)thio]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[(4,6-diaminopyrimidin-2-yl)thio]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC(=CC(=N3)N)N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC(=CC(=N3)N)N)C(=O)OC

InChI

InChI=1S/C17H17N5O2S/c1-9-10-5-3-4-6-11(10)20-12(15(9)16(23)24-2)8-25-17-21-13(18)7-14(19)22-17/h3-7H,8H2,1-2H3,(H4,18,19,21,22)