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

Systemtic Name: N-[4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoyl]phenyl]butanamide CAS Name: N-[4-[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]phenyl]butanamide IUPAC Name: N-[4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoyl]phenyl]butanamide Traditional Name: N-[4-[2-[(4,6-diaminopyrimidin-2-yl)thio]propanoyl]phenyl]butyramide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H21N5O2S/c1-3-4-15(23)20-12-7-5-11(6-8-12)16(24)10(2)25-17-21-13(18)9-14(19)22-17/h5-10H,3-4H2,1-2H3,(H,20,23)(H4,18,19,21,22)