8-azido-8-methyl-4-oxidanylidene-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid

Systemtic Name: 8-azido-8-methyl-4-oxidanylidene-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid Openeye Name: 3-[allyl(benzyloxycarbonyl)amino]-8-azido-8-methyl-4-oxo-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid CAS Name: 8-azido-8-methyl-4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid IUPAC Name: 8-azido-8-methyl-4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid Traditional Name: 3-[allyl(carbobenzoxy)amino]-8-azido-4-keto-8-methyl-6,7-dihydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid Formula: C20H20N6O5 MolecularWeight: 424.41

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)O)N=[N+]=[N-]

Isomeric SMILES

CC1(CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C20H20N6O5/c1-3-9-25(19(30)31-12-13-7-5-4-6-8-13)15-11-22-18-20(2,23-24-21)10-14(17(28)29)26(18)16(15)27/h3-8,11,14H,1,9-10,12H2,2H3,(H,28,29)