tert-butyl (E)-3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]prop-2-enoate Openeye Name: tert-butyl (E)-3-(2,4-diamino-6-methyl-pyrimidin-5-yl)prop-2-enoate CAS Name: (E)-3-(2,4-diamino-6-methyl-5-pyrimidinyl)-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(2,4-diamino-6-methylpyrimidin-5-yl)prop-2-enoate Traditional Name: (E)-3-(2,4-diamino-6-methyl-pyrimidin-5-yl)acrylic acid tert-butyl ester Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C=CC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)/C=C/C(=O)OC(C)(C)C

InChI

InChI=1S/C12H18N4O2/c1-7-8(10(13)16-11(14)15-7)5-6-9(17)18-12(2,3)4/h5-6H,1-4H3,(H4,13,14,15,16)/b6-5+