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

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(1-propylindol-3-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-oxo-2-(1-propylindol-3-yl)ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-oxo-2-(1-propyl-3-indolyl)ethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-oxo-2-(1-propylindol-3-yl)ethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-(1-propylindol-3-yl)ethyl]thio]pyrimidine-5-carbonitrile Formula: C18H17N5OS MolecularWeight: 351.42548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C18H17N5OS/c1-2-7-23-10-14(13-5-3-4-6-15(13)23)16(24)11-25-18-21-9-12(8-19)17(20)22-18/h3-6,9-10H,2,7,11H2,1H3,(H2,20,21,22)