5-[(4-bromanyl-8-methoxy-spiro[chromene-2,1'-cyclobutane]-6-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(4-bromanyl-8-methoxy-spiro[chromene-2,1'-cyclobutane]-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(4-bromo-8-methoxy-spiro[chromene-2,1'-cyclobutane]-6-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(4-bromo-8-methoxy-6-spiro[1-benzopyran-2,1'-cyclobutane]yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(4-bromo-8-methoxyspiro[chromene-2,1'-cyclobutane]-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(4-bromo-8-methoxy-spiro[chromene-2,1'-cyclobutane]-6-yl)methyl]pyrimidin-4-yl]amine Formula: C18H19BrN4O2 MolecularWeight: 403.27306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC4(O2)CCC4)Br

Isomeric SMILES

COC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC4(O2)CCC4)Br

InChI

InChI=1S/C18H19BrN4O2/c1-24-14-7-10(5-11-9-22-17(21)23-16(11)20)6-12-13(19)8-18(3-2-4-18)25-15(12)14/h6-9H,2-5H2,1H3,(H4,20,21,22,23)