2-[[4-[4-(propan-2-ylamino)butylsulfonyl]phenyl]amino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile

Systemtic Name: 2-[[4-[4-(propan-2-ylamino)butylsulfonyl]phenyl]amino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile Openeye Name: 2-[4-[4-(isopropylamino)butylsulfonyl]anilino]-4-prop-2-ynoxy-pyrimidine-5-carbonitrile CAS Name: 2-[4-[4-(propan-2-ylamino)butylsulfonyl]anilino]-4-prop-2-ynoxy-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-[4-(propan-2-ylamino)butylsulfonyl]anilino]-4-prop-2-ynoxypyrimidine-5-carbonitrile Traditional Name: 2-[4-[4-(isopropylamino)butylsulfonyl]anilino]-4-propargyloxy-pyrimidine-5-carbonitrile Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

Isomeric SMILES

CC(C)NCCCCS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)OCC#C)C#N

InChI

InChI=1S/C21H25N5O3S/c1-4-12-29-20-17(14-22)15-24-21(26-20)25-18-7-9-19(10-8-18)30(27,28)13-6-5-11-23-16(2)3/h1,7-10,15-16,23H,5-6,11-13H2,2-3H3,(H,24,25,26)