7-methylsulfonyl-N-(5-piperazin-1-ylpyridin-2-yl)spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine

Systemtic Name: 7-methylsulfonyl-N-(5-piperazin-1-ylpyridin-2-yl)spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine Openeye Name: 7-methylsulfonyl-N-(5-piperazin-1-yl-2-pyridyl)spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine CAS Name: 7-methylsulfonyl-N-[5-(1-piperazinyl)-2-pyridinyl]-3-spiro[[1]benzopyrano[3,4-d]pyrimidine-5,1'-cyclohexane]amine IUPAC Name: 7-methylsulfonyl-N-(5-piperazin-1-ylpyridin-2-yl)spiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-amine Traditional Name: (7-mesylspiro[chromeno[3,4-d]pyrimidine-5,1'-cyclohexane]-3-yl)-(5-piperazino-2-pyridyl)amine Formula: C26H30N6O3S MolecularWeight: 506.6198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1OC3(CCCCC3)C4=NC(=NC=C24)NC5=NC=C(C=C5)N6CCNCC6

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1OC3(CCCCC3)C4=NC(=NC=C24)NC5=NC=C(C=C5)N6CCNCC6

InChI

InChI=1S/C26H30N6O3S/c1-36(33,34)21-7-5-6-19-20-17-29-25(31-24(20)26(35-23(19)21)10-3-2-4-11-26)30-22-9-8-18(16-28-22)32-14-12-27-13-15-32/h5-9,16-17,27H,2-4,10-15H2,1H3,(H,28,29,30,31)