2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 6-methylbenzo[a]phenothiazin-5-one

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 6-methylbenzo[a]phenothiazin-5-one Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 6-methylbenzo[a]phenothiazin-5-one CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 6-methyl-5-benzo[a]phenothiazinone IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 6-methylbenzo[a]phenothiazin-5-one Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 6-methylbenzo[a]phenothiazin-5-one Formula: C25H22N6O4S MolecularWeight: 502.54498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC3=CC=CC=C3S2)C4=CC=CC=C4C1=O.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

CC1=C2C(=NC3=CC=CC=C3S2)C4=CC=CC=C4C1=O.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C17H11NOS.C8H11N5O3/c1-10-16(19)12-7-3-2-6-11(12)15-17(10)20-14-9-5-4-8-13(14)18-15;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h2-9H,1H3;3,14H,1-2,4H2,(H3,9,11,12,15)