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

Systemtic Name: 4-azanyl-2-[2-(1-ethylindol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(1-ethylindol-3-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(1-ethyl-3-indolyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(1-ethylindol-3-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(1-ethylindol-3-yl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CCN1C=C(C2=CC=CC=C21)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C17H15N5OS/c1-2-22-9-13(12-5-3-4-6-14(12)22)15(23)10-24-17-20-8-11(7-18)16(19)21-17/h3-6,8-9H,2,10H2,1H3,(H2,19,20,21)