N-(4-acetamidophenyl)-3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(4-acetamidophenyl)-3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-acetamidophenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(4-acetamidophenyl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(4-acetamidophenyl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(4-acetamidophenyl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C15H18N6O2S MolecularWeight: 346.40742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CCSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C15H18N6O2S/c1-9(22)18-10-2-4-11(5-3-10)19-14(23)6-7-24-15-20-12(16)8-13(17)21-15/h2-5,8H,6-7H2,1H3,(H,18,22)(H,19,23)(H4,16,17,20,21)