2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 3-(2-chloranylphenothiazin-10-yl)-N,N-dimethyl-propan-1-amine Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 3-(2-chloro-10-phenothiazinyl)-N,N-dimethyl-1-propanamine IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 3-(2-chlorophenothiazin-10-yl)-N,N-dimethylpropan-1-amine Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-amine Formula: C25H30ClN7O3S MolecularWeight: 544.0688

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C17H19ClN2S.C8H11N5O3/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3-4,6-9,12H,5,10-11H2,1-2H3;3,14H,1-2,4H2,(H3,9,11,12,15)