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1-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]-3-prop-2-enyl-urea

1-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]-3-prop-2-enyl-urea

Systemtic Name:1-[9-(phenylmethyl)-8-pyrazol-1-yl-purin-6-yl]-3-prop-2-enyl-urea
Openeye Name:1-allyl-3-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)urea
CAS Name:1-[9-(phenylmethyl)-8-(1-pyrazolyl)-6-purinyl]-3-prop-2-enylurea
IUPAC Name:1-(9-benzyl-8-pyrazol-1-ylpurin-6-yl)-3-prop-2-enylurea
Traditional Name:1-allyl-3-(9-benzyl-8-pyrazol-1-yl-purin-6-yl)urea
Formula: C19H18N8O
MolecularWeight: 374.39922
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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=NC=NC2=C1N=C(N2CC3=CC=CC=C3)N4C=CC=N4


Isomeric SMILES

C=CCNC(=O)NC1=NC=NC2=C1N=C(N2CC3=CC=CC=C3)N4C=CC=N4


InChI

InChI=1S/C19H18N8O/c1-2-9-20-18(28)25-16-15-17(22-13-21-16)26(12-14-7-4-3-5-8-14)19(24-15)27-11-6-10-23-27/h2-8,10-11,13H,1,9,12H2,(H2,20,21,22,25,28)


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