methyl 5-[2-[(4-azanyl-6-cyclobutyl-1,3,5-triazin-2-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(4-azanyl-6-cyclobutyl-1,3,5-triazin-2-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(4-amino-6-cyclobutyl-1,3,5-triazin-2-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-amino-6-cyclobutyl-1,3,5-triazin-2-yl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(4-amino-6-cyclobutyl-1,3,5-triazin-2-yl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-amino-6-cyclobutyl-s-triazin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H23N5O3S MolecularWeight: 389.47192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=NC(=N2)N)C3CCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=NC(=N2)N)C3CCC3

InChI

InChI=1S/C18H23N5O3S/c1-8-12(16(25)26-4)9(2)20-13(8)14(24)10(3)27-18-22-15(11-6-5-7-11)21-17(19)23-18/h10-11,20H,5-7H2,1-4H3,(H2,19,21,22,23)