N-[(4-methoxyphenyl)methyl]-4-(7H-purin-6-yl)piperazine-1-carbothioamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(7H-purin-6-yl)piperazine-1-carbothioamide Openeye Name: N-[(4-methoxyphenyl)methyl]-4-(7H-purin-6-yl)piperazine-1-carbothioamide CAS Name: N-[(4-methoxyphenyl)methyl]-4-(7H-purin-6-yl)-1-piperazinecarbothioamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-(7H-purin-6-yl)piperazine-1-carbothioamide Traditional Name: N-p-anisyl-4-(7H-purin-6-yl)piperazine-1-carbothioamide Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCN(CC2)C3=NC=NC4=C3NC=N4

InChI

InChI=1S/C18H21N7OS/c1-26-14-4-2-13(3-5-14)10-19-18(27)25-8-6-24(7-9-25)17-15-16(21-11-20-15)22-12-23-17/h2-5,11-12H,6-10H2,1H3,(H,19,27)(H,20,21,22,23)