ethyl 4-azanyl-2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[(E)-3-(1,3-benzoxazol-2-yl)-1-oxoprop-2-enoxy]methyl]-6-methyl-5-furo[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[(E)-3-(1,3-benzoxazol-2-yl)acryloyl]oxymethyl]-6-methyl-furo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18N4O6 MolecularWeight: 422.39082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)C=CC3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=NC(=NC(=C12)N)COC(=O)/C=C/C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C21H18N4O6/c1-3-28-21(27)17-11(2)30-20-18(17)19(22)24-14(25-20)10-29-16(26)9-8-15-23-12-6-4-5-7-13(12)31-15/h4-9H,3,10H2,1-2H3,(H2,22,24,25)/b9-8+