2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1-ethanoyl-2,3-dihydroindol-5-yl)propan-1-one

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-(1-ethanoyl-2,3-dihydroindol-5-yl)propan-1-one Openeye Name: 1-(1-acetylindolin-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-propan-1-one CAS Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]-1-propanone IUPAC Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(1-acetylindolin-5-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]propan-1-one Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NC(=CC(=N3)N)N

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C)SC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C17H19N5O2S/c1-9(25-17-20-14(18)8-15(19)21-17)16(24)12-3-4-13-11(7-12)5-6-22(13)10(2)23/h3-4,7-9H,5-6H2,1-2H3,(H4,18,19,20,21)