8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine

Systemtic Name: 8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine Openeye Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-3-phenothiazin-10-yl-propan-1-amine CAS Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-3-(10-phenothiazinyl)-1-propanamine IUPAC Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine Traditional Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-quinone; dimethyl(3-phenothiazin-10-ylpropyl)amine Formula: C24H27ClN6O2S MolecularWeight: 499.02818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31

InChI

InChI=1S/C17H20N2S.C7H7ClN4O2/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-6,8-11H,7,12-13H2,1-2H3;1-2H3,(H,9,10)