2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine-5,6-dione

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine-5,6-dione Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine-5,6-dione CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine-5,6-dione IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine-5,6-dione Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 12H-benzo[a]phenothiazine-5,6-quinone Formula: C24H20N6O5S MolecularWeight: 504.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C3=C(C(=O)C2=O)SC4=CC=CC=C4N3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C3=C(C(=O)C2=O)SC4=CC=CC=C4N3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C16H9NO2S.C8H11N5O3/c18-14-10-6-2-1-5-9(10)13-16(15(14)19)20-12-8-4-3-7-11(12)17-13;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h1-8,17H;3,14H,1-2,4H2,(H3,9,11,12,15)