tert-butyl N-prop-2-enyl-N-[7-[(E)-prop-1-enyl]purin-6-yl]carbamate

Systemtic Name: tert-butyl N-prop-2-enyl-N-[7-[(E)-prop-1-enyl]purin-6-yl]carbamate Openeye Name: tert-butyl N-allyl-N-[7-[(E)-prop-1-enyl]purin-6-yl]carbamate CAS Name: N-prop-2-enyl-N-[7-[(E)-prop-1-enyl]-6-purinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-prop-2-enyl-N-[7-[(E)-prop-1-enyl]purin-6-yl]carbamate Traditional Name: N-allyl-N-[7-[(E)-prop-1-enyl]purin-6-yl]carbamic acid tert-butyl ester Formula: C16H21N5O2 MolecularWeight: 315.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC=CN1C=NC2=C1C(=NC=N2)N(CC=C)C(=O)OC(C)(C)C

Isomeric SMILES

C/C=C/N1C=NC2=C1C(=NC=N2)N(CC=C)C(=O)OC(C)(C)C

InChI

InChI=1S/C16H21N5O2/c1-6-8-20-11-19-13-12(20)14(18-10-17-13)21(9-7-2)15(22)23-16(3,4)5/h6-8,10-11H,2,9H2,1,3-5H3/b8-6+