N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine

Systemtic Name: N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-3-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)propan-1-amine Openeye Name: N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-3-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)propan-1-amine CAS Name: N-[(2,4-dimethoxy-5-pyrimidinyl)methyl]-3-(1,2-dimethyl-5-oxo-10-phenothiazinyl)-1-propanamine IUPAC Name: N-[(2,4-dimethoxypyrimidin-5-yl)methyl]-3-(1,2-dimethyl-5-oxophenothiazin-10-yl)propan-1-amine Traditional Name: (2,4-dimethoxypyrimidin-5-yl)methyl-[3-(5-keto-1,2-dimethyl-phenothiazin-10-yl)propyl]amine Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CN=C(N=C4OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCCNCC4=CN=C(N=C4OC)OC)C

InChI

InChI=1S/C24H28N4O3S/c1-16-10-11-21-22(17(16)2)28(19-8-5-6-9-20(19)32(21)29)13-7-12-25-14-18-15-26-24(31-4)27-23(18)30-3/h5-6,8-11,15,25H,7,12-14H2,1-4H3