2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide

Systemtic Name: 2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide Openeye Name: 2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide CAS Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide Traditional Name: 2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidine-5-carboxamide Formula: C16H18N6O4 MolecularWeight: 358.35192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1=NC=C(C(=N1)NC2=CC3=C(C=C2)OCCO3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)N)NC1=NC=C(C(=N1)NC2=CC3=C(C=C2)OCCO3)C(=O)N

InChI

InChI=1S/C16H18N6O4/c1-8(13(17)23)20-16-19-7-10(14(18)24)15(22-16)21-9-2-3-11-12(6-9)26-5-4-25-11/h2-3,6-8H,4-5H2,1H3,(H2,17,23)(H2,18,24)(H2,19,20,21,22)/t8-/m1/s1