4-azanyl-2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C19H12ClN5OS2 MolecularWeight: 425.91448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC=C(C(=N4)N)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)C(=O)CSC4=NC=C(C(=N4)N)C#N

InChI

InChI=1S/C19H12ClN5OS2/c20-12-5-6-16-14(7-12)25(13-3-1-2-4-15(13)28-16)17(26)10-27-19-23-9-11(8-21)18(22)24-19/h1-7,9H,10H2,(H2,22,23,24)