6-chloranyl-N4-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]pyrimidine-4,5-diamine

Systemtic Name: 6-chloranyl-N4-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]pyrimidine-4,5-diamine Openeye Name: N4-[(1S,4R)-4-(benzyloxymethyl)cyclobut-2-en-1-yl]-6-chloro-pyrimidine-4,5-diamine CAS Name: 6-chloro-N4-[(1S,4R)-4-(phenylmethoxymethyl)-1-cyclobut-2-enyl]pyrimidine-4,5-diamine IUPAC Name: 6-chloro-4-N-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]pyrimidine-4,5-diamine Traditional Name: (5-amino-6-chloro-pyrimidin-4-yl)-[(1S,4R)-4-(benzoxymethyl)cyclobut-2-en-1-yl]amine Formula: C16H17ClN4O MolecularWeight: 316.78538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C=CC2NC3=C(C(=NC=N3)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O/c17-15-14(18)16(20-10-19-15)21-13-7-6-12(13)9-22-8-11-4-2-1-3-5-11/h1-7,10,12-13H,8-9,18H2,(H,19,20,21)/t12-,13-/m0/s1