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2-[3-[4-[3-(pyren-1-ylmethylamino)propylamino]butylamino]propyl]guanidine

2-[3-[4-[3-(pyren-1-ylmethylamino)propylamino]butylamino]propyl]guanidine

Systemtic Name:2-[3-[4-[3-(pyren-1-ylmethylamino)propylamino]butylamino]propyl]guanidine
Openeye Name:2-[3-[4-[3-(pyren-1-ylmethylamino)propylamino]butylamino]propyl]guanidine
CAS Name:2-[3-[4-[3-(1-pyrenylmethylamino)propylamino]butylamino]propyl]guanidine
IUPAC Name:2-[3-[4-[3-(pyren-1-ylmethylamino)propylamino]butylamino]propyl]guanidine
Traditional Name:2-[3-[4-[3-(pyren-1-ylmethylamino)propylamino]butylamino]propyl]guanidine
Formula: C28H38N6
MolecularWeight: 458.64152
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCNCCCCNCCCN=C(N)N


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CNCCCNCCCCNCCCN=C(N)N


InChI

InChI=1S/C28H38N6/c29-28(30)34-19-5-17-32-15-2-1-14-31-16-4-18-33-20-24-11-10-23-9-8-21-6-3-7-22-12-13-25(24)27(23)26(21)22/h3,6-13,31-33H,1-2,4-5,14-20H2,(H4,29,30,34)


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