N-[(3-chloranylpyrazin-2-yl)methyl]-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine

Systemtic Name: N-[(3-chloranylpyrazin-2-yl)methyl]-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: N-[(3-chloropyrazin-2-yl)methyl]-3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: N-[(3-chloro-2-pyrazinyl)methyl]-3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: N-[(3-chloropyrazin-2-yl)methyl]-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: (3-chloropyrazin-2-yl)methyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=NC=CN=C4Cl)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=NC=CN=C4Cl)C

InChI

InChI=1S/C22H23ClN4OS/c1-15-8-9-20-21(16(15)2)27(18-6-3-4-7-19(18)29(20)28)13-5-10-24-14-17-22(23)26-12-11-25-17/h3-4,6-9,11-12,24H,5,10,13-14H2,1-2H3