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

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; benzo[a]phenothiazin-5-one Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; benzo[a]phenothiazin-5-one CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 5-benzo[a]phenothiazinone IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; benzo[a]phenothiazin-5-one Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; benzo[a]phenothiazin-5-one Formula: C24H20N6O4S MolecularWeight: 488.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=CC=CC=C4S3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=CC=CC=C4S3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C16H9NOS.C8H11N5O3/c18-13-9-15-16(11-6-2-1-5-10(11)13)17-12-7-3-4-8-14(12)19-15;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h1-9H;3,14H,1-2,4H2,(H3,9,11,12,15)