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2-azanyl-8-(benzo[e][1]benzothiol-2-ylmethyl)-3,7-dihydropurin-6-one

2-azanyl-8-(benzo[e][1]benzothiol-2-ylmethyl)-3,7-dihydropurin-6-one

Systemtic Name:2-azanyl-8-(benzo[e][1]benzothiol-2-ylmethyl)-3,7-dihydropurin-6-one
Openeye Name:2-amino-8-(benzo[e]benzothiophen-2-ylmethyl)-3,7-dihydropurin-6-one
CAS Name:2-amino-8-(2-benzo[e][1]benzothiolylmethyl)-3,7-dihydropurin-6-one
IUPAC Name:2-amino-8-(benzo[e][1]benzothiol-2-ylmethyl)-3,7-dihydropurin-6-one
Traditional Name:2-amino-8-(benzo[e]benzothiophen-2-ylmethyl)-3,7-dihydropurin-6-one
Formula: C18H13N5OS
MolecularWeight: 347.39372
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C=C(S3)CC4=NC5=C(N4)C(=O)N=C(N5)N


Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C=C(S3)CC4=NC5=C(N4)C(=O)N=C(N5)N


InChI

InChI=1S/C18H13N5OS/c19-18-22-16-15(17(24)23-18)20-14(21-16)8-10-7-12-11-4-2-1-3-9(11)5-6-13(12)25-10/h1-7H,8H2,(H4,19,20,21,22,23,24)


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