2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C4S3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2NC4=CC=CC=C4S3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C16H11NS.C8H11N5O3/c1-2-6-12-11(5-1)9-10-15-16(12)17-13-7-3-4-8-14(13)18-15;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h1-10,17H;3,14H,1-2,4H2,(H3,9,11,12,15)