4-azanyl-2-[2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[1-(3-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-keto-2-[1-(3-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]thio]pyrimidine-5-carbonitrile Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)CSC3=NC=C(C(=N3)N)C#N

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)OC)C)C(=O)CSC3=NC=C(C(=N3)N)C#N

InChI

InChI=1S/C20H19N5O2S/c1-12-7-17(13(2)25(12)15-5-4-6-16(8-15)27-3)18(26)11-28-20-23-10-14(9-21)19(22)24-20/h4-8,10H,11H2,1-3H3,(H2,22,23,24)