6-azanyl-9-(phenylmethyl)-2-(3-piperazin-1-ylpropylsulfanyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-9-(phenylmethyl)-2-(3-piperazin-1-ylpropylsulfanyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-(3-piperazin-1-ylpropylsulfanyl)-7H-purin-8-one CAS Name: 6-amino-9-(phenylmethyl)-2-[3-(1-piperazinyl)propylthio]-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-(3-piperazin-1-ylpropylsulfanyl)-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-(3-piperazinopropylthio)-7H-purin-8-one Formula: C19H25N7OS MolecularWeight: 399.5131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)CCCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1)CCCSC2=NC3=C(C(=N2)N)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C19H25N7OS/c20-16-15-17(26(19(27)22-15)13-14-5-2-1-3-6-14)24-18(23-16)28-12-4-9-25-10-7-21-8-11-25/h1-3,5-6,21H,4,7-13H2,(H,22,27)(H2,20,23,24)