3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methylamino]-4-methoxy-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(2R,3S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methylamino]-4-methoxy-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(2R,3S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylamino]-4-methoxy-cyclobut-3-ene-1,2-dione CAS Name: 3-[[(2R,3S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methylamino]-4-methoxycyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methylamino]-4-methoxycyclobut-3-ene-1,2-dione Traditional Name: 3-[[(2R,3S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylamino]-4-methoxy-cyclobut-3-ene-1,2-quinone Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C1=O)NCC2C(CC(O2)N3C=CC(=NC3=O)N)O

Isomeric SMILES

COC1=C(C(=O)C1=O)NC[C@@H]2[C@H](C[C@@H](O2)N3C=CC(=NC3=O)N)O

InChI

InChI=1S/C14H16N4O6/c1-23-13-10(11(20)12(13)21)16-5-7-6(19)4-9(24-7)18-3-2-8(15)17-14(18)22/h2-3,6-7,9,16,19H,4-5H2,1H3,(H2,15,17,22)/t6-,7+,9+/m0/s1