6-chloranyl-5-nitro-N-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]pyrimidin-4-amine

Systemtic Name: 6-chloranyl-5-nitro-N-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]pyrimidin-4-amine Openeye Name: N-[(1S,4R)-4-(benzyloxymethyl)cyclobut-2-en-1-yl]-6-chloro-5-nitro-pyrimidin-4-amine CAS Name: 6-chloro-5-nitro-N-[(1S,4R)-4-(phenylmethoxymethyl)-1-cyclobut-2-enyl]-4-pyrimidinamine IUPAC Name: 6-chloro-5-nitro-N-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]pyrimidin-4-amine Traditional Name: [(1S,4R)-4-(benzoxymethyl)cyclobut-2-en-1-yl]-(6-chloro-5-nitro-pyrimidin-4-yl)amine Formula: C16H15ClN4O3 MolecularWeight: 346.7683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C=CC2NC3=C(C(=NC=N3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2C=C[C@@H]2NC3=C(C(=NC=N3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H15ClN4O3/c17-15-14(21(22)23)16(19-10-18-15)20-13-7-6-12(13)9-24-8-11-4-2-1-3-5-11/h1-7,10,12-13H,8-9H2,(H,18,19,20)/t12-,13-/m0/s1