1-(4-propoxyphenyl)-2-(7H-purin-8-yl)-3-sulfonyl-guanidine

Systemtic Name: 1-(4-propoxyphenyl)-2-(7H-purin-8-yl)-3-sulfonyl-guanidine Openeye Name: 1-(4-propoxyphenyl)-2-(7H-purin-8-yl)-3-sulfonyl-guanidine CAS Name: 1-(4-propoxyphenyl)-2-(7H-purin-8-yl)-3-sulfonylguanidine IUPAC Name: 1-(4-propoxyphenyl)-2-(7H-purin-8-yl)-3-sulfonylguanidine Traditional Name: 1-(4-propoxyphenyl)-2-(7H-purin-8-yl)-3-sulfonyl-guanidine Formula: C15H15N7O3S MolecularWeight: 373.3897

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC(=NC2=NC3=NC=NC=C3N2)N=S(=O)=O

Isomeric SMILES

CCCOC1=CC=C(C=C1)N/C(=N/C2=NC3=NC=NC=C3N2)/N=S(=O)=O

InChI

InChI=1S/C15H15N7O3S/c1-2-7-25-11-5-3-10(4-6-11)18-15(22-26(23)24)21-14-19-12-8-16-9-17-13(12)20-14/h3-6,8-9H,2,7H2,1H3,(H2,16,17,18,19,20,21)