2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-[(2,4-dimethylanilino)-oxomethyl]propanamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]propanamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]propionamide Formula: C16H20N6O2S MolecularWeight: 360.434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC(=CC(=N2)N)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)C(C)SC2=NC(=CC(=N2)N)N)C

InChI

InChI=1S/C16H20N6O2S/c1-8-4-5-11(9(2)6-8)19-15(24)22-14(23)10(3)25-16-20-12(17)7-13(18)21-16/h4-7,10H,1-3H3,(H4,17,18,20,21)(H2,19,22,23,24)