8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; 10-(2-pyrrolidin-1-ylethyl)phenothiazine

Systemtic Name: 8-chloranyl-1,3-dimethyl-7H-purine-2,6-dione; 10-(2-pyrrolidin-1-ylethyl)phenothiazine Openeye Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 10-(2-pyrrolidin-1-ylethyl)phenothiazine CAS Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 10-[2-(1-pyrrolidinyl)ethyl]phenothiazine IUPAC Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-dione; 10-(2-pyrrolidin-1-ylethyl)phenothiazine Traditional Name: 8-chloro-1,3-dimethyl-7H-purine-2,6-quinone; 10-(2-pyrrolidinoethyl)phenothiazine Formula: C25H27ClN6O2S MolecularWeight: 511.03888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.C1CCN(C1)CCN2C3=CC=CC=C3SC4=CC=CC=C42

InChI

InChI=1S/C18H20N2S.C7H7ClN4O2/c1-3-9-17-15(7-1)20(14-13-19-11-5-6-12-19)16-8-2-4-10-18(16)21-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-4,7-10H,5-6,11-14H2;1-2H3,(H,9,10)