2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 10-methyl-12H-benzo[a]phenothiazine

Systemtic Name: 2-azanyl-9-(2-hydroxyethyloxymethyl)-3H-purin-6-one; 10-methyl-12H-benzo[a]phenothiazine Openeye Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 10-methyl-12H-benzo[a]phenothiazine CAS Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 10-methyl-12H-benzo[a]phenothiazine IUPAC Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 10-methyl-12H-benzo[a]phenothiazine Traditional Name: 2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one; 10-methyl-12H-benzo[a]phenothiazine Formula: C25H24N6O3S MolecularWeight: 488.56146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(N2)C4=CC=CC=C4C=C3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(N2)C4=CC=CC=C4C=C3.C1=NC2=C(N1COCCO)NC(=NC2=O)N

InChI

InChI=1S/C17H13NS.C8H11N5O3/c1-11-6-8-15-14(10-11)18-17-13-5-3-2-4-12(13)7-9-16(17)19-15;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h2-10,18H,1H3;3,14H,1-2,4H2,(H3,9,11,12,15)