4-azanyl-2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(1-ethylsulfonylindolin-5-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(1-esylindolin-5-yl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H17N5O3S2/c1-2-27(24,25)22-6-5-11-7-12(3-4-14(11)22)15(23)10-26-17-20-9-13(8-18)16(19)21-17/h3-4,7,9H,2,5-6,10H2,1H3,(H2,19,20,21)