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

Systemtic Name: 5-[(4-bromanyl-8-methoxy-spiro[chromene-2,4'-oxane]-6-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(4-bromo-8-methoxy-spiro[chromene-2,4'-tetrahydropyran]-6-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(4-bromo-8-methoxy-6-spiro[1-benzopyran-2,4'-oxane]yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(4-bromo-8-methoxyspiro[chromene-2,4'-oxane]-6-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(4-bromo-8-methoxy-spiro[chromene-2,4'-tetrahydropyran]-6-yl)methyl]pyrimidin-4-yl]amine Formula: C19H21BrN4O3 MolecularWeight: 433.29904

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC4(O2)CCOCC4)Br

Isomeric SMILES

COC1=C2C(=CC(=C1)CC3=CN=C(N=C3N)N)C(=CC4(O2)CCOCC4)Br

InChI

InChI=1S/C19H21BrN4O3/c1-25-15-8-11(6-12-10-23-18(22)24-17(12)21)7-13-14(20)9-19(27-16(13)15)2-4-26-5-3-19/h7-10H,2-6H2,1H3,(H4,21,22,23,24)