N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoyl]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]-3-methyl-butanamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]phenyl]-3-methylbutanamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]phenyl]-3-methyl-butyramide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H21N5O2S/c1-10(2)7-16(24)20-12-5-3-11(4-6-12)13(23)9-25-17-21-14(18)8-15(19)22-17/h3-6,8,10H,7,9H2,1-2H3,(H,20,24)(H4,18,19,21,22)